4-azanyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-hexanethioic S-acid

Systemtic Name: 4-azanyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-hexanethioic S-acid Openeye Name: 4-amino-3-(3,4-dichlorophenyl)-5,5-dimethyl-hexanethioic S-acid CAS Name: 4-amino-3-(3,4-dichlorophenyl)-5,5-dimethylhexanethioic S-acid IUPAC Name: 4-amino-3-(3,4-dichlorophenyl)-5,5-dimethylhexanethioic S-acid Traditional Name: 4-amino-3-(3,4-dichlorophenyl)-5,5-dimethyl-hexanethioic S-acid Formula: C14H19Cl2NOS MolecularWeight: 320.27776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(CC(=O)S)C1=CC(=C(C=C1)Cl)Cl)N

Isomeric SMILES

CC(C)(C)C(C(CC(=O)S)C1=CC(=C(C=C1)Cl)Cl)N

InChI

InChI=1S/C14H19Cl2NOS/c1-14(2,3)13(17)9(7-12(18)19)8-4-5-10(15)11(16)6-8/h4-6,9,13H,7,17H2,1-3H3,(H,18,19)